6-phenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine

C24H17N5S — CID 108779791

IUPAC6-phenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
SMILESc1ccc(-c2cc(Nc3cccc(-c4csc(-c5cccnc5)n4)c3)ncn2)cc1
InChIInChI=1S/C24H17N5S/c1-2-6-17(7-3-1)21-13-23(27-16-26-21)28-20-10-4-8-18(12-20)22-15-30-24(29-22)19-9-5-11-25-14-19/h1-16H,(H,26,27,28)
InChIKeyYBNOQTZHHXSTEF-UHFFFAOYSA-N
MW407.50 g/mol
LogP6.07
Rot. Bonds5

About 6-phenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine

6-phenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine (PubChem CID 108779791) has the molecular formula C24H17N5S and a molecular weight of 407.50 g/mol. Its IUPAC name is 6-phenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-phenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
PubChem CID108779791
Molecular FormulaC24H17N5S
Molecular Weight407.50 g/mol
Exact Mass407.12
IUPAC Name6-phenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
SMILESc1ccc(-c2cc(Nc3cccc(-c4csc(-c5cccnc5)n4)c3)ncn2)cc1
InChIInChI=1S/C24H17N5S/c1-2-6-17(7-3-1)21-13-23(27-16-26-21)28-20-10-4-8-18(12-20)22-15-30-24(29-22)19-9-5-11-25-14-19/h1-16H,(H,26,27,28)
InChIKeyYBNOQTZHHXSTEF-UHFFFAOYSA-N
XLogP6.07
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.50
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108779744
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine
CID 108779659
6-chloro-5-nitro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108779825
5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108779811
(Z)-2,3-diphenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108770511
6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazin-3-amine
CID 108779736
1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea
CID 108784263
4-methyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784245
[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152435
4-(4-fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 592589
2,2-dimethyl-5-[[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168539982
4-(3,4-difluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2800024

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-phenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine (CID 108779791) is 6-phenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-phenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-phenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine is c1ccc(-c2cc(Nc3cccc(-c4csc(-c5cccnc5)n4)c3)ncn2)cc1.
What is the InChIKey of 6-phenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
The InChIKey is YBNOQTZHHXSTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5S/c1-2-6-17(7-3-1)21-13-23(27-16-26-21)28-20-10-4-8-18(12-20)22-15-30-24(29-22)19-9-5-11-25-14-19/h1-16H,(H,26,27,28).
What are the key properties of 6-phenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
6-phenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine has a molecular weight of 407.50 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 108779791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).